Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f976acacb39f416d005b04d4041b5952",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.586,
"b": 83.808,
"c": 58.937,
"alpha": 90.00,
"beta": 108.51,
"gamma": 90.00
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.810,1.340],
"number_observations": 433477,
"number_observations_unique": 84396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 73.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 255,
"number_observations_unique": 255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 4.500
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [83.810,7.340],
"number_observations": 4674,
"number_observations_unique": 739,
"quality_factors": [
{
"type": "I/SigI",
"value": 101.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
}
]
}
]
}